Molecule

ID:86845

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂NO₂
Molecular Mass
282.12206
Exact Mass
281.00103389
Charge
0
InChI
InChI=1S/C13H9Cl2NO2/c1-8-2-4-10(5-3-8)18-13(17)11-6-9(14)7-16-12(11)15/h2-7H,1H3
InChIKey
DLXKPPIYLXMXBH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)OC(=O)c1cc(Cl)cnc1Cl
Isomeric Smiles
n1c(c(cc(c1)Cl)C(=O)Oc1ccc(cc1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.358697
LogD (pH = 7.4)
4.358697
Log P
4.358697
Molar Refractivity
71.4161
Polarizability
27.229397
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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